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Home > Nitro Compounds > 328263-31-6
328263-31-6 | N'-[(1E)-[3-nitro-4-(pyrrolidin-1-yl)phenyl]methylidene]thiophene-2-carbohydrazide
CAS No: 328263-31-6 Catalog No: AG00ISV6 MDL No:MFCD00954851
Product Description
Catalog Number:
AG00ISV6
Chemical Name:
N'-[(1E)-[3-nitro-4-(pyrrolidin-1-yl)phenyl]methylidene]thiophene-2-carbohydrazide
CAS Number:
328263-31-6
Molecular Formula:
C16H16N4O3S
Molecular Weight:
344.3882
MDL Number:
MFCD00954851
IUPAC Name:
N-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]thiophene-2-carboxamide
InChI:
InChI=1S/C16H16N4O3S/c21-16(15-4-3-9-24-15)18-17-11-12-5-6-13(14(10-12)20(22)23)19-7-1-2-8-19/h3-6,9-11H,1-2,7-8H2,(H,18,21)
InChI Key:
NGVBDAMGXJVKGZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(/C=N/NC(=O)c2cccs2)ccc1N1CCCC1
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.094g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.389g/mol
Monoisotopic Mass:
344.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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